1,1,1,-tris(4-ethynylphenyl)ethane | 1174659-21-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1,1,1,-tris(4-ethynylphenyl)ethane
• 英文别名: 1-[1,1-Bis(4-ethynylphenyl)ethyl]-4-ethynylbenzene
• CAS: 1174659-21-2
• 化学式: C₂₆H₁₈
• 分子量: 330.429
• InChiKey: ZETXHONHLWLBMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  trans diiodobis(triethylphosphine)platinum(II) 、 1,1,1,-tris(4-ethynylphenyl)ethane 在 copper(l) iodide diethylamine 作用下， 以 甲苯 为溶剂， 以61%的产率得到1,1,1-tris[4-(trans-Pt(PEt3)2I)ethynylphenyl]ethane
  参考文献：
  名称：

  Self-Assembly of Molecular Prisms via Pt₃ Organometallic Acceptors and a Pt₂ Organometallic Clip

  摘要：

  The design and two-component [2 + 3] self-assembly of a series of new organometallic molecular prisms (3a-d) are described. Assemblies 3a,b incorporate 4,4',4'-tris[ethynyl-trans-Pt(PEt3)(2)]triphenylamine (1a) containing a Pt-ethynyl functionality as tritopic planar acceptor and organic "clips" 2a and 2b, respectively [where 2a = 1,3-bis(3-pyridyl)isophthalic amide; 2b= 1,3-bis(ethynyl-3-pyridyl)benzene]. In a complementary approach all organic tritopic planar donor ligand 2c [2c 4,4',4'-tris(4-pyridylethynyl)triphenylamine] was assembled with all organometallic "clip", 1,8-bis[{trans-Pt(PEt3)(2)(NO3)}ethynyl]anthracene (1b), to obtain prism 3c. A organometallic carbon-centered acceptor, 1,1,1-tris[4-{trans-Pt(PEt3)(2)(NO3)}ethynylphenyl]ethane (1c), has been prepared, and its prism derivative (3d) using an organic "clip" is prepared. Assemblies (3a-d) were characterized by multinuclear NMR spectroscopy, electrospray ionization mass spectroscopy, and elemental analysis. 3a-d showed fluorescence behavior in solution, and quenching of fluorescence intensity (3a,3c-d) was noticed upon addition of TNT (2,4,6-trinitrotoluene), a common constituent of many commercial explosives. A thin film of the assembly 3d made by spin coating of a solution of 3 x 10(-5) M in DMF on it 1 cm(2) quartz plate showed fluorescence response to the vapor of TNT.

  DOI：

  10.1021/om900309x